Vitas-M small molecule compound
2-methoxy-4-[(Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]phenyl benzoate
Catalog ID
STK958385
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H19F3N2O4 MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F3N2O4/c1-16-21(24(32)31(30-16)20-10-6-9-19(15-20)26(27,28)29)13-17-11-12-22(23(14-17)34-2)35-25(33)18-7-4-3-5-8-18/h3-15H,1-2H3/b21-13-InChIKey
FQTHNYJDSAFVPW-BKUYFWCQSA-NSynonyms
834909-74-9(2methoxy4((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)pyrazol4ylidene)methyl)phenyl)benzoate
2methoxy4((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)phenylbenzoate
834909749
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C4=CC=CC(=C4)C(F)(F)F
COc1cc(ccc1OC(=O)c1ccccc1)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
InChI=1SC26H19F3N2O4c11621(24(32)31(3016)20106919(1520)26(2728)29)1317111222(23(1417)342)3525(33)187435818h315H12H3b2113
MFCD02054304
ZINC000013914594
ZINC13914594
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